CAS RN: 4668-37-5
Z-ASN-OME
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260321 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4668-37-5
- Purity/Analytical Methods: >99.0%
4668-37-5 / methyl 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
Basic Information
CAS
4668-37-5
Multi CAS
Yes
Molecular Formula
C13H16N2O5
Molecular Weight
280.280000
Exact Mass
280.105922
InChI
InChI=1S/C13H16N2O5/c1-19-12(17)10(7-11(14)16)15-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,14,16)(H,15,18)/t10-/m0/s1
InChIKey
CQIPRSHYISKHFR-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.38
TPSA
107.72
LogP / Solubility
WLOGP
0.33
MLOGP
0.3
XLogP3
0.2
Consensus LogP
0.28
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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- CAS RN: 4672-17-7
- Product Code: starshine_CAS4672-17-7
- Purity/Analytical method: >99.0%
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